-
1
-
-
0029328795
-
-
P. E. Savage, S. Gopalan, T. I. Mizan, C. J. Martino, and E. E. Brock, AIChE. J. 41, 1723 (1995).
-
(1995)
AIChE. J.
, vol.41
, pp. 1723
-
-
Savage, P.E.1
Gopalan, S.2
Mizan, T.I.3
Martino, C.J.4
Brock, E.E.5
-
5
-
-
85034150089
-
-
ACS Symposium Series 329, edited by T. G. Squires and M. E. Paulaitis ACS, Washington, DC
-
M. J. Antal, Jr., A. Brittain, C. DeAleida, S. Ramayya, and J. C. Roy, in Supercritical Fluids, ACS Symposium Series 329, edited by T. G. Squires and M. E. Paulaitis (ACS, Washington, DC, 1987).
-
(1987)
Supercritical Fluids
-
-
Antal M.J., Jr.1
Brittain, A.2
DeAleida, C.3
Ramayya, S.4
Roy, J.C.5
-
6
-
-
33751499819
-
-
R. W. Shaw, T. B. Brill, A. A. Clifford, C. A. Eckert, and E. U. Franck, Chem. Eng. News 69, 26 (1991).
-
(1991)
Chem. Eng. News
, vol.69
, pp. 26
-
-
Shaw, R.W.1
Brill, T.B.2
Clifford, A.A.3
Eckert, C.A.4
Franck, E.U.5
-
7
-
-
0042045917
-
-
edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner Wiley, Chichester
-
S. C. Tucker, in The Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, Chichester, 1998), p. 2826.
-
(1998)
The Encyclopedia of Computational Chemistry
, pp. 2826
-
-
Tucker, S.C.1
-
14
-
-
85034152217
-
-
note
-
Relative to an ideal gas.
-
-
-
-
17
-
-
0000435293
-
-
R. S. Urdahl, K. D. Rector, D. J. Myers, P. H. Davis, and M. D. Fayer, J. Chem. Phys. 105, 8973 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 8973
-
-
Urdahl, R.S.1
Rector, K.D.2
Myers, D.J.3
Davis, P.H.4
Fayer, M.D.5
-
21
-
-
0003796670
-
-
edited by R. Balian, R. Maynard, and G. Toulouse World Scientific, Singapore
-
P. W. Andersen, in Ill-Condensed Matter, edited by R. Balian, R. Maynard, and G. Toulouse (World Scientific, Singapore, 1979).
-
(1979)
Ill-Condensed Matter
-
-
Andersen, P.W.1
-
26
-
-
85034120529
-
-
ACS Symposium Series 488, edited by F. V. Bright and M. E. P. McNally ACS, Washington, DC
-
T. A. Betts, J. Zagrobelny, and F. V. Bright, in Supercritical Fluids, ACS Symposium Series 488, edited by F. V. Bright and M. E. P. McNally (ACS, Washington, DC, 1992).
-
(1992)
Supercritical Fluids
-
-
Betts, T.A.1
Zagrobelny, J.2
Bright, F.V.3
-
27
-
-
85034137406
-
-
note
-
In a similar vein, Procaccia and Gitterman (Refs. 49, 50) suggested that critical slowing down would slow reaction rates, but their analysis was later demonstrated to be in error (Refs. 51 and 52).
-
-
-
-
28
-
-
85034150286
-
-
note
-
-ν) is ν=0.63 and 1.0 in three and two dimensions, respectively. This expected similarity between 2D and 3D supercritical behavior has already been validated by two recent results. First, preliminary simulations of a 3D supercritical Lennard-Jones fluid by H. L. Martinez, S. G. Srinivasan, and S. C. Tucker show qualitatively similar local density behavior as was observed in 2D supercritical Lennard-Jones fluids (see Refs. 22, 38, and 53). Second, we have recently demonstrated (Ref. 39) that the 2D system studied herein reproduces the density-dependence observed experimentally for vibrational relaxation lifetimes in 3D supercritical fluids.
-
-
-
-
30
-
-
85034125305
-
-
note
-
The mass of each atom comprising the diatomic is the same as the solvent mass.
-
-
-
-
34
-
-
85034132018
-
-
note
-
LJ, and both neighbor listing and periodic boundary conditions were employed. At each state point, the system was equilibrated for 80 000 time steps, during which velocity rescaling was performed every 31 times steps. Data were subsequently collected over 1000 blocks of 4000 time steps each, with 200 time-step velocity-rescaled equilibrations occurring between blocks.
-
-
-
-
35
-
-
85034128300
-
-
note
-
LJ here.
-
-
-
-
36
-
-
85034133125
-
-
note
-
b solvent forces on sites a and b of the diatomic, respectively, and Ω the diatomic's orientation vector.
-
-
-
-
37
-
-
85034154421
-
-
note
-
/ ≳ 3 are not significantly influenced by the detailed packing geometry of the solvent. See Ref. 22 for an in-depth discussion of this issue.
-
-
-
-
40
-
-
33751390931
-
-
Y.-P. Sun, G. Bennett, K. P. Johnston, and M. A. Fox, J. Phys. Chem. 96, 10001 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 10001
-
-
Sun, Y.-P.1
Bennett, G.2
Johnston, K.P.3
Fox, M.A.4
-
42
-
-
0001585297
-
-
It is still unknown, however, why theory and experiment often fail to predict the same magnitude anomalies. See, for example, J. E. Adams, J. Phys. Chem. B 102, 7455 (1998).
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 7455
-
-
Adams, J.E.1
-
43
-
-
85034151055
-
-
note
-
Although not obvious from Fig. 2, approximately 1 solute molecule in 1000 has no solvent neighbors in its local region.
-
-
-
-
44
-
-
0003829793
-
-
Oxford University Press, Oxford
-
J. J. Binney, N. J. Dowrick, A. J. Fisher, and M. E. J. Newman, The Theory of Critical Phenomena (Oxford University Press, Oxford, 1995).
-
(1995)
The Theory of Critical Phenomena
-
-
Binney, J.J.1
Dowrick, N.J.2
Fisher, A.J.3
Newman, M.E.J.4
-
46
-
-
0042045913
-
-
R. F. Chang, P. H. Keyes, J. V. Sengers, and C. O. Alley, Phys. Rev. Lett. 27, 1706 (1971).
-
(1971)
Phys. Rev. Lett.
, vol.27
, pp. 1706
-
-
Chang, R.F.1
Keyes, P.H.2
Sengers, J.V.3
Alley, C.O.4
-
47
-
-
85034151352
-
-
note
-
/ are permitted in the integral.
-
-
-
-
54
-
-
85034123851
-
-
note
-
LJ, with a correlation of R = 0.989.
-
-
-
-
56
-
-
85034152375
-
-
note
-
We generated this curve using the Gaussian fit in Fig. 4 and Ref. 54.
-
-
-
|